Vitas-M small molecule compound
(12aS)-2-{[(E)-(4-ethoxyphenyl)methylidene]amino}-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL546752
SMILES CCOc1ccc(cc1)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H26N4O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3/c1-2-36-21-14-12-19(13-15-21)17-30-32-18-26(34)33-25(29(32)35)16-23-22-10-6-7-11-24(22)31-27(23)28(33)20-8-4-3-5-9-20/h3-15,17,25,28,31H,2,16,18H2,1H3/b30-17+/t25-,28?/m0/s1InChIKey
ODJMWWMWGRLWQX-QWDZHEHTSA-NSynonyms
957047-73-3(12aS)2(((E)(4ethoxyphenyl)methylidene)amino)6phenyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(4ethoxybenzylidene)amino)6phenyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6((~(E))(4ethoxyphenyl)methylideneamino)2phenyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399135
957047733
CCOc1ccc(cc1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2)(nH)c2c1cccc2
InChI=1SC29H26N4O3c123621141219(131521)1730321826(34)3325(29(32)35)16232210671124(22)3127(23)28(33)208435920h31517252831H21618H21H3b3017+t2528?m0s1
MFCD03854248
ZINC000002096402
ZINC000002096404
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